SCHEMBL14355360

SCHEMBL14355360

Cc1cc(S(=O)(=O)O)cc2cc(SOOO)c(N=Nc3cc([N+](=O)[O-])ccc3O)c(O)c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 3/20 0.39
▸ MEN1 O00255 6/20 0.38
▸ KMT2A Q03164 6/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ POLB P06746 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ PRMT1 Q99873 3/20 0.37
▸ CYP1A2 P05177 4/20 0.36
▸ CYP2C9 P11712 3/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ CSNK2A1 P68400 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14602382 0.90 ENPP2 (0.44) ENPP2MEN1KMT2AALDH1A1POLB
SCHEMBL13763497 0.84 PRMT1 (0.54) ENPP2MEN1KMT2AALDH1A1POLB
SCHEMBL14355348 0.81 CYP1A2 (0.47) ENPP2MEN1KMT2AALDH1A1HTT
SCHEMBL18218125 0.80 CYP1A2 (0.45) ENPP2MEN1KMT2AALDH1A1POLB
SCHEMBL14602384 0.78 MEN1 (0.56) ENPP2MEN1KMT2AALDH1A1POLB
SCHEMBL14443421 0.78 MEN1 (0.56) ENPP2MEN1KMT2AALDH1A1POLB
SCHEMBL14259356 0.77 PRMT1 (0.47) ENPP2MEN1KMT2AALDH1A1POLB
SCHEMBL14580404 0.77 ENPP2 (0.42) ENPP2MEN1KMT2AALDH1A1POLB
SCHEMBL14580402 0.77 ENPP2 (0.39) ENPP2MEN1KMT2AALDH1A1POLB
SCHEMBL14259362 0.77 CYP1A2 (0.41) ENPP2MEN1KMT2AALDH1A1POLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7294183-B2 Activating agents for use with reactive colorants in inkjet printing of textiles HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2007-11-13 — — US disclosed
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